methyl 6-[2-(1,2,4-triazol-1-yl)ethanoylamino]hexanoate

Systemtic Name: methyl 6-[2-(1,2,4-triazol-1-yl)ethanoylamino]hexanoate Openeye Name: methyl 6-[[2-(1,2,4-triazol-1-yl)acetyl]amino]hexanoate CAS Name: 6-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(1,2,4-triazol-1-yl)acetyl]amino]hexanoate Traditional Name: 6-[[2-(1,2,4-triazol-1-yl)acetyl]amino]hexanoic acid methyl ester Formula: C11H18N4O3 MolecularWeight: 254.28562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)CN1C=NC=N1

Isomeric SMILES

COC(=O)CCCCCNC(=O)CN1C=NC=N1

InChI

InChI=1S/C11H18N4O3/c1-18-11(17)5-3-2-4-6-13-10(16)7-15-9-12-8-14-15/h8-9H,2-7H2,1H3,(H,13,16)